SCHEMBL16934367

SCHEMBL16934367

C[C](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 3/20 0.68
CA1 P00915 2/20 0.60
CA2 P00918 2/20 0.60
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
CYP19A1 P11511 1/20 0.55
MMP7 P09237 3/20 0.51
MMP9 P14780 2/20 0.51
MMP10 P09238 1/20 0.51
IDO1 P14902 1/20 0.50
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC7 Q8WUI4 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC10 Q969S8 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2702351 0.83 MMP1 (0.72) MMP1CA1CA2MEN1KMT2A
SCHEMBL16934224 0.81 MMP1 (0.57) MMP1CA1CA2MMP9HDAC3
SCHEMBL14280991 0.79 MMP1 (0.62) MMP1CA1CA2MEN1KMT2A
SCHEMBL28542669 0.78 MMP1 (0.60) MMP1CA1CA2MEN1KMT2A
SCHEMBL16508905 0.78 CA1 (0.62) MMP1CA1CA2MEN1KMT2A
SCHEMBL10700342 0.77 MMP1 (0.56) MMP1CA1CA2MEN1KMT2A
SCHEMBL15621568 0.77 CA1 (0.79) MMP1CA1CA2MEN1KMT2A
SCHEMBL7669854 0.76 MEN1 (0.65) MMP1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL19630963 0.76 DHFR (0.61) MMP1CA1CA2SMN1; SMN2POLB
SCHEMBL30800477 0.75 CA1 (1.00) MMP1CA1CA2MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897970-B1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-07-13 EP claimed
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-30 US claimed
CN-104797588-B Macrolide derivatives, its preparation and its therapeutical uses 赛诺菲 2017-10-20 CN disclosed
EP-2897970-B1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2016-07-13 EP disclosed
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2015-07-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150210729-A1 MACROLIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF PCSK9, CYP51A1, ABCB11 MMP1 2904/4885CA1 4861/4885CA2 4825/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.